Journal
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
Volume 1837, Issue 12, Pages 1964-1972Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.bbabio.2014.09.006
Keywords
Chloride transport; Protein dynamics; Electrostatic interactions; Inter-helical hydrogen bonding; Intra-helical hydrogen bonding
Categories
Funding
- Marie Curie International Reintegration [FP7-PEOPLE-2010-RG 276920]
- National Institutes of Health [P01 GM86685]
- DJT
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Translocation of negatively charged ions across cell membranes by ion pumps raises the question as to how protein interactions control the location and dynamics of the ion. Here we address this question by performing extensive molecular dynamics simulations of wild type and mutant halorhodopsin, a seven-helical transmembrane protein that translocates chloride ions upon light absorption. We find that inter-helical hydrogen bonds mediated by a key arginine group largely govern the dynamics of the protein and water groups coordinating the chloride ion. (C) 2014 Elsevier B.V. All rights reserved.
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